N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide

C15H20N4O — CID 81257020

IUPACN-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-3-18(4-2)11-13-6-5-7-14(10-13)17-15(20)19-9-8-16-12-19/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)
InChIKeyNDHKOLBUNNXHGI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds5

About N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide

N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide (PubChem CID 81257020) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
PubChem CID81257020
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)n2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-3-18(4-2)11-13-6-5-7-14(10-13)17-15(20)19-9-8-16-12-19/h5-10,12H,3-4,11H2,1-2H3,(H,17,20)
InChIKeyNDHKOLBUNNXHGI-UHFFFAOYSA-N
XLogP2.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
(2S)-2-amino-N-[3-(diethylaminomethyl)phenyl]-3,3-dimethylbutanamide
CID 61177892
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]imidazole-1-carboxamide
CID 81257796
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-[3-(1,3-oxazol-5-yl)phenyl]imidazole-1-carboxamide
CID 81257187

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide (CID 81257020) is N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide is CCN(CC)Cc1cccc(NC(=O)n2ccnc2)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide?
The InChIKey is NDHKOLBUNNXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-18(4-2)11-13-6-5-7-14(10-13)17-15(20)19-9-8-16-12-19/h5-10,12H,3-4,11H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide?
N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 81257020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).